Q27765290

[object Object]
Name(s)-14-methylhexadecanoic acid
WikidataQ27765290
Mol. formulaC17H34O2
CAS registry number-
Mol. weight270.4513

Representations

Temporary LOTUS idLTS0008966
Name(s)-14-methylhexadecanoic acid
Canonical SMILESCC[C@H](C)CCCCCCCCCCCCC(=O)O
2D SMILESCCC(C)CCCCCCCCCCCCC(=O)O
IUPAC name(14S)-14-methylhexadecanoic acid
InChIInChI=1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)/t16-/m0/s1
InChIKeyFXUKWLSZZHVEJD-INIZCTEOSA-N
Deep SMILEScould not be computed
Murcko Frameworknot applicable

Organism taxonomy


KingdomPhylumFamilySpeciesLink to taxonomy
 Fungi  Ascomycota  Monascaceae  Monascus purpureus 
Ref:

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Plantaginaceae  Antirrhinum  Antirrhinum majus Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Fatty acidsFatty Acids and ConjugatesBranched fatty acids

Molecular Properties

Total atom number53
Heavy atom number19
Bond count18
Number of carbons17
Minimal number of rings0
Maximal number of rings0

Molecular Descriptors

NP-likeness score 1.32
Alogp6.62
Alogp243.82
Apol 54.195
Bpol 38.127
EccentricConnectivityIndexDescriptor 444
FmfDescriptor 0
Fsp3 0.9412
FragmentComplexityDescriptor 2362.02
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 2
WienerPathNumber1094
Xlogp 8.078
ZagrebIndex 74
TopoPSA 37.3